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随着计算机技术的迅速发展,理论模拟已经成为科学研究中一个重要的手段.继1998年诺贝尔化学奖授予2名理论化学家后,2013年的诺贝尔化学奖又授予3名美国理论化学家:马丁·卡普拉斯(Martin Karplus)、迈克尔·莱维特(Michael Levitt)和亚利耶·瓦谢尔(Arieh Warshel),以表彰他们在“复杂化学体系多尺度模型的发展”上所做的贡献.这个多尺度模型实际上指的是量子经典混合方法(combined quantum-mechanics/molecular-mechanics),通常称之为
With the rapid development of computer technology, theoretical simulation has become an important method in scientific research.After the 1998 Nobel Prize in Chemistry awarded to two theoretical chemists, the 2013 Nobel Prize in Chemistry awarded three American theoretical chemists : Martin Karplus, Michael Levitt, and Arieh Warshel in recognition of their “multi-scale model of complex chemical systems” This multiscale model actually refers to the combined quantum-mechanics / molecular-mechanics, commonly referred to as